CID 3047278

N-(3-indolylmethyl)nicotinamide

Structural Information

Molecular Formula
C15H13N3O
SMILES
C1=CC=C2C(=C1)C(=CN2)CNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C15H13N3O/c19-15(11-4-3-7-16-8-11)18-10-12-9-17-14-6-2-1-5-13(12)14/h1-9,17H,10H2,(H,18,19)
InChIKey
ZXXWHZIZRFFPLA-UHFFFAOYSA-N
Compound name
N-(1H-indol-3-ylmethyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.10587 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11315 154.8
[M+Na]+ 274.09509 163.0
[M-H]- 250.09859 158.9
[M+NH4]+ 269.13969 170.7
[M+K]+ 290.06903 157.2
[M+H-H2O]+ 234.10313 146.1
[M+HCOO]- 296.10407 177.2
[M+CH3COO]- 310.11972 166.5
[M+Na-2H]- 272.08054 162.1
[M]+ 251.10532 154.2
[M]- 251.10642 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.